| Entry |
|
|---|
| Name |
Vamifeport trihydrochloride (USAN) |
|---|
| Formula |
C21H21FN6O2. 3HCl
|
|---|
| Exact mass |
516.1010
|
|---|
| Mol weight |
517.81
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Ferroportin inhibitor |
|---|
| Comment |
Treatment of diseases related to dysregulation in iron metabolism
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC40
SLC40A1 (FPN1, IREG1)
D12290 Vamifeport trihydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8y C 12.5648 -16.6365
2 C1b C 13.7581 -17.3384
3 C1b C 14.9514 -16.6365
4 N1b N 16.1447 -17.3384
5 C1b C 17.3381 -16.6365
6 C1b C 18.6016 -17.3384
7 C8y C 19.7949 -16.6365
8 N5x N 20.9882 -17.4086
9 C8y C 22.0411 -16.5663
10 C8x C 21.5498 -15.3028
11 O2x O 20.2161 -15.3028
12 C5a C 23.2345 -17.2683
13 N1b N 24.4278 -16.5663
14 O5a O 23.2345 -18.6722
15 C1b C 25.6913 -17.2683
16 C8y C 26.8846 -16.5663
17 N5x N 28.0779 -17.2683
18 C8x C 29.2713 -16.4961
19 C8x C 29.2713 -15.0922
20 C8x C 28.0779 -14.3902
21 C8y C 26.8846 -15.1624
22 X F 25.6211 -14.4604
23 N5x N 12.4244 -15.2326
24 C8y C 11.0205 -14.8816
25 C8y C 10.3185 -16.1451
26 N4x N 11.2311 -17.1981
27 C8x C 10.3185 -13.6883
28 C8x C 8.9146 -13.6883
29 C8x C 8.2127 -14.8816
30 C8x C 8.9146 -16.1449
31 X Cl 16.3100 -12.8100
32 X Cl 16.3100 -12.8100
33 X Cl 16.3100 -12.8100
BOND 33
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 7 11 1
12 9 12 1
13 12 13 1
14 12 14 2
15 13 15 1
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 16 21 1
23 21 22 1
24 1 23 2
25 23 24 1
26 24 25 1
27 25 26 1
28 1 26 1
29 24 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 25 30 2
BRACKET 1 14.7700 -13.7200 14.7700 -11.8300
1 17.4300 -11.8300 17.4300 -13.7200
1 3
ORIGINAL 1 31
REPEAT 1 32 33
|
|---|
